(2,5-dioxopyrrolidin-3-yl) hexanoate

C10H15NO4 — CID 18407530

IUPAC(2,5-dioxopyrrolidin-3-yl) hexanoate
SMILESCCCCCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-4-5-9(13)15-7-6-8(12)11-10(7)14/h7H,2-6H2,1H3,(H,11,12,14)
InChIKeySUOQIZRRIRAHRX-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.52
Rot. Bonds5

About (2,5-dioxopyrrolidin-3-yl) hexanoate

(2,5-dioxopyrrolidin-3-yl) hexanoate (PubChem CID 18407530) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) hexanoate
PubChem CID18407530
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2,5-dioxopyrrolidin-3-yl) hexanoate
SMILESCCCCCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-4-5-9(13)15-7-6-8(12)11-10(7)14/h7H,2-6H2,1H3,(H,11,12,14)
InChIKeySUOQIZRRIRAHRX-UHFFFAOYSA-N
XLogP0.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) hexanoate (CID 18407530) is (2,5-dioxopyrrolidin-3-yl) hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) hexanoate is CCCCCC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) hexanoate?
The InChIKey is SUOQIZRRIRAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-4-5-9(13)15-7-6-8(12)11-10(7)14/h7H,2-6H2,1H3,(H,11,12,14).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) hexanoate?
(2,5-dioxopyrrolidin-3-yl) hexanoate has a molecular weight of 213.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) hexanoate is sourced from PubChem (CID 18407530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).